Materials Data on Mn3GeN by Materials Project

Abstract

Mn3GeN crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted bent 150 degrees geometry to two equivalent Ge and two equivalent N atoms. Both Mn–Ge bond lengths are 2.46 Å. Both Mn–N bond lengths are 1.91 Å. In the second Mn site, Mn is bonded in a distorted linear geometry to four equivalent Ge and two equivalent N atoms. All Mn–Ge bond lengths are 2.62 Å. Both Mn–N bond lengths are 2.03 Å. Ge is bonded in a 12-coordinate geometry to eight Mn atoms. N is bonded to six Mn atoms to form corner-sharing NMn6 octahedra. The corner-sharing octahedra tilt angles range from 0–29°.